SCHEMBL9068428

SCHEMBL9068428

O=C(O)c1ccccc1CCc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.51
ADRB2 P07550 1/20 0.51
AKR1C3 P42330 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45
PDPK1 O15530 1/20 0.45
FPR2 P25090 1/20 0.45

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
SCHEMBL29975597 0.87 FOLH1 (0.66) FOLH1TSHRALDH1A1ADRB2LMNA
SCHEMBL166927 0.87 FOLH1 (0.66) FOLH1TSHRALDH1A1ADRB2LMNA
Hydrochloric Acid SCHEMBL7699238 0.85 FOLH1 (0.63) FOLH1TSHRALDH1A1ADRB2LMNA
SCHEMBL8702953 0.85 FOLH1 (0.63) FOLH1TSHRALDH1A1ADRB2LMNA
SCHEMBL11782261 0.85 SIRT2 (0.48) TSHRALDH1A1ADRB2LMNAHTT
SCHEMBL16950095 0.84 TSHR (0.72) FOLH1TSHRALDH1A1AKR1C3CA12
SCHEMBL7764255 0.84 TSHR (0.72) FOLH1TSHRALDH1A1ADRB2LMNA
SCHEMBL70392 0.83 FOLH1 (0.76) FOLH1TSHRALDH1A1ADRB2AKR1C3
SCHEMBL30365583 0.83 FOLH1 (0.76) FOLH1TSHRALDH1A1ADRB2AKR1C3
SCHEMBL5515624 0.83 FOLH1 (0.56) FOLH1TSHRALDH1A1ADRB2LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10476006-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-12 US disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 EP disclosed
US-5492917-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE, ANTIISCHEMIC,ANTISHOCK, ANTIINFLAMMATORY, ANTIALLERGEN AGENTS MERCK & CO., INC. (US) 1996-02-20 US disclosed
WO-1995008989-A1 ENDOTHELIN ANTAGONISTS INCORPORATING A CYCLOBUTANE MERCK & CO., INC. (US) 1995-04-06 WO disclosed
EP-0312051-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1994-08-17 EP disclosed
US-5010087-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 US disclosed
US-5010104-A Antiischemic agent, cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 US disclosed
US-4882351-A CARDIOVASCULAR DISORDERS; ROUSSEL UCLAF (FR) 1989-11-21 US disclosed
EP-0312051-A2 Tricyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-04-19 EP disclosed
US-3988454-A ANTIARRHYTHMICS MERCK & CO., INC. (US) 1976-10-26 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 (2 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-10476006-B2 Compound and organic electronic device using the same ESR1, AOC2, PIEZO1 FOLH1 3893/4885TSHR 3504/4885ALDH1A1 71/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 FOLH1 3893/4885TSHR 3504/4885ALDH1A1 71/4885

“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.