SCHEMBL855003

SCHEMBL855003

CCCCOC(=O)C(N)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NAAA Q02083 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR2C P28335 1/20 0.41
NOD1 Q9Y239 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL5487402 0.98 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27960973 0.87 HCAR2 (0.38) ALDH1A1TSHRHCAR2DPP4DPP9
SCHEMBL2734865 0.85 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2734881 0.85 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7373318 0.85 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16330782 0.84 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16330780 0.84 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL856879 0.84 DPP7 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL7703133 0.83 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL7377199 0.83 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110000905-A A kind of heat-barrier material, hot runner plastic injection mould and Shooting Technique 蓝思科技(长沙)有限公司 2019-07-12 CN claimed
EP-3604457-B1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN MICROPARTICLES FOR INK FUJIFILM CORP (JP) 2022-02-09 EP disclosed
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-3768294-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS Carmot Therapeutics, Inc. (US) 2021-01-27 EP disclosed
EP-3604457-A1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN FINE PARTICLES FOR INKS FUJIFILM Corporation (JP) 2020-02-05 EP 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
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO 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
CN-110000905-A A kind of heat-barrier material, hot runner plastic injection mould and Shooting Technique 蓝思科技(长沙)有限公司 2019-07-12 CN disclosed
EP-2389190-B1 FGF21 DERIVATIVES WITH ALBUMIN BINDER A-B-C-D-E- AND THEIR USE NOVO NORDISK AS (DK) 2018-09-19 EP disclosed
US-5581002-A BLOCKING WITH BUTYLDIMETHYLSILANYL CHLORIDE; ALKYLATION; OZONOLYZING WITH SODIUM HYPOCHLORITE; DEBLOCKING ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5573922-A COMPETITIVE POLYCLONAL ANTIBODY BINDING, TESTING WATER SAMPLES BOEHRINGER MANNHEIM GMBH (DE) 1996-11-12 US disclosed
US-5559210-A STEROIDS AS IMMUNOGENS ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
WO-1996014878-A2 CALIXARENE CONJUGATES USEFUL AS MRI AND CT DIAGNOSTIC IMAGING AGENTS MOLECULAR BIOSYSTEMS, INC. (US) 1996-05-23 WO disclosed
EP-0712497-A1 REAGENTS AND METHODS FOR THE DETECTION AND QUANTIFICATION OF TESTOSTERONE IN FLUID SAMPLES Abbott Laboratories (US) 1996-05-22 EP disclosed
US-5491071-A LABELS; TEST KITS; IMMUNOASSAYS ABBOTT LABORATORIES (US) 1996-02-13 US disclosed
WO-1995004283-A1 REAGENTS AND METHODS FOR THE DETECTION AND QUANTIFICATION OF TESTOSTERONE IN FLUID SAMPLES ABBOTT LABORATORIES (US) 1995-02-09 WO disclosed
EP-0622633-A2 Immunological detection of triazine Roche Diagnostics GmbH (DE) 1994-11-02 EP disclosed
EP-0599325-A1 B12 conjugates Roche Diagnostics GmbH (DE) 1994-06-01 EP disclosed
WO-1994002466-A1 UNSYMMETRICAL MONO-3-NITRO BIS-NAPHTHALIMIDES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-02-03 WO 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 (1 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-11092594-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, AHR, RORB ALDH1A1 2734/4885ATM 3688/4885TSHR 544/4885

“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.