SCHEMBL2302974

SCHEMBL2302974

C=CCC[C@H](O)COCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AGER Q15109 1/20 0.44
CA4 P22748 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL5153374 1.00 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL3348805 1.00 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL21522127 0.91 CA1 (0.55) CA1CA2CA7CA9MAPK1
SCHEMBL13308050 0.86 CA1 (0.45) CA1CA2CA7CA9MAPK1
SCHEMBL7153591 0.84 CA1 (0.76) CA1CA2CA7CA9MAPK1
SCHEMBL1933558 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL7294877 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL1933560 0.83 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL1566002 0.82 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL18653600 0.82 CA1 (0.60) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP disclosed
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 US disclosed
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2021-05-13 US disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
US-20130338141-A1 HIV INTEGRASE INHIBITORS ISAACS RICHARD C (US) 2013-12-19 US disclosed
US-8513234-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
EP-2349276-A2 HIV INTEGRASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010042392-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2010-04-15 WO disclosed
US-20100087419-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-08 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 (6 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-20130338141-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A CA1 4176/4885CA2 3566/4885CA7 3833/4885
US-20210139458-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CA1 2306/4885CA2 4030/4885CA7 4715/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CA1 2306/4885CA2 4030/4885CA7 4715/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CA1 2306/4885CA2 4030/4885CA7 4715/4885
US-20100087419-A1 HIV INTEGRASE INHIBITORS POLB, CCNB1, POLR2A CA1 4176/4885CA2 3566/4885CA7 3833/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL CA1 2306/4885CA2 4030/4885CA7 4715/4885

“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.