SCHEMBL182753

SCHEMBL182753

CCOc1ccc(Br)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.44
FBP1 P09467 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL31096231 1.00 TSHR (0.56) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL7931152 0.90 HPGD (0.55) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL4572874 0.90 KDM4E (0.59) TSHRHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL1965362 0.90 HPGD (0.51) TSHRHPGDLMNASMN1; SMN2RAB9A
Acetic Acid SCHEMBL10998868 0.89 TSHR (0.53) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL4820063 0.88 HPGD (0.50) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL2870711 0.87 HPGD (0.50) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL7928493 0.87 ALDH1A1 (0.52) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL28512540 0.86 CYSLTR2 (0.51) TSHRHPGDLMNASMN1; SMN2RAB9A
SCHEMBL1847263 0.84 ALDH1A1 (0.58) TSHRHPGDLMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796351-A A kind of novel preparation method of drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2019-05-24 CN claimed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 US disclosed
CN-109796351-B Novel preparation method of drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2021-08-17 CN disclosed
CN-109796351-B Novel preparation method of drotaverine hydrochloride intermediate 江苏联环药业股份有限公司 2021-08-17 CN disclosed
US-20030178607-A1 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-09-25 US disclosed
EP-1281744-A2 Emissive polymers and devices incorporating these polymers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-02-05 EP disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 EP disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-1080162-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-07 EP disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
WO-1999057222-A1 EMISSIVE POLYMERS AND DEVICES INCORPORATING THESE POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-11-11 WO disclosed
US-4171361-A HYPOTENSIVE ELI LILLY AND COMPANY (US) 1979-10-16 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B TSHR 3028/4885HPGD 784/4885LMNA 2076/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B TSHR 2648/4885HPGD 1240/4885LMNA 1926/4885

“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.