SCHEMBL1708577

SCHEMBL1708577

C=CCCCCCC(N)CN

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 2/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3238361 0.98 TSHR (0.37) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3244928 0.91
SCHEMBL4228975 0.88 TSHR (0.46) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL1240084 0.85 TSHR (0.42) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3242623 0.84 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3232533 0.84 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3241664 0.84 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL18463150 0.82 TSHR (0.36) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3996665 0.81 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL10454796 0.80

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2021-08-17 US disclosed
EP-3564674-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2019-11-06 EP disclosed
EP-3276349-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2019-08-07 EP disclosed
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2018-05-03 US disclosed
EP-3276349-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2018-01-31 EP disclosed
EP-3029461-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2017-12-20 EP disclosed
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
EP-3029461-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2016-06-08 EP disclosed
EP-2078197-B1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2016-03-23 EP disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed
EP-2078197-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2009-07-15 EP disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits VENTANA MEDICAL SYSTEMS, INC. 2008-10-30 US disclosed
WO-2008063378-A9 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2008-07-31 WO disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
WO-2008063378-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2008-05-29 WO disclosed
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080268462-A1 Derivatives containing oxazole, pyrazole, thiazole, nitroaryl compound, benzofurazan, triterpene, urea, thiourea, rotenoid, coumarin or cyclolignan such as 4-(2-hydroxyphenyl)-1H-benzo[b][1,4]diazepine-2(3H)-one; multiplexed diagnostic assay for multiple targets in sample; antibodies; kits HRH4, CRBN, NCDN TSHR 119/4885MAPT 3454/4885ABCC4 511/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB TSHR 544/4885MAPT 2927/4885ABCC4 1060/4885
US-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB TSHR 544/4885MAPT 2927/4885ABCC4 1060/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.