SCHEMBL89386

SCHEMBL89386

COCCCOc1ccc(C(=O)O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
TPMT P51580 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
PRSS1 P07477 4/20 0.59
MRGPRX4 Q96LA9 1/20 0.58
PLA2G4B P0C869 1/20 0.57
MAPT P10636 1/20 0.56
TTR P02766 1/20 0.55

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
SCHEMBL30683868 1.00 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL5492174 0.95 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL88998 0.94 CA12 (0.67) TSHRCA12CA1CA2CA4
SCHEMBL8122418 0.94 TSHR (0.78) TSHRCA12CA1CA2CA4
Hydrochloric Acid SCHEMBL3372494 0.92 CA12 (0.65) TSHRCA12CA1CA2CA4
SCHEMBL6939685 0.92 TSHR (0.71) TSHRCA12CA1CA2CA4
SCHEMBL21614005 0.92 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL8085474 0.90 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL13461276 0.88 PLA2G4B (0.58) TSHRPLA2G4B
SCHEMBL1750327 0.88 TSHR (0.74) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136187-A Novel anti-hepatitis B compound 上海齐鲁制药研究中心有限公司 2023-11-28 CN disclosed
WO-2022268154-A1 NEW ANTI-HEPATITIS B COMPOUND 上海齐鲁制药研究中心有限公司 2022-12-29 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885CA12 2906/4885CA1 2037/4885

“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.