SCHEMBL95857

SCHEMBL95857

OCCCSc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPK1 P28482 1/20 0.64
CA2 P00918 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL96807 0.93 ALDH1A1 (0.61) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL23014948 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL97656 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL95506 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL23014874 0.90 ALDH1A1 (0.52) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL28753401 0.90 ALDH1A1 (0.52) ALDH1A1MAPK1CA2MEN1KMT2A
Glycine SCHEMBL9369690 0.88 ALDH1A1 (0.65) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL9670880 0.87 CA2 (0.64) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL6042200 0.87 CA2 (0.56) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL95988 0.85 ALDH1A1 (0.70) ALDH1A1MAPK1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US claimed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US claimed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US disclosed
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US disclosed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
EP-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4933369-A ANALGESICS G. D. SEARLE & CO. (US) 1990-06-12 US disclosed
EP-0361482-A1 Dimethyl tyrosyl amide sulfides, sulfoxides and sulfones G.D. Searle & Co. (US) 1990-04-04 EP disclosed
EP-0313943-A2 1,2-naphtalocyanine near-infrared absorbent and recording/display materials using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-05-03 EP disclosed
US-4033965-A DISPERSE CIBA-GEIGY CORPORATION (US) 1977-07-05 US 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-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885MAPK1 982/4885CA2 254/4885

“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.