SCHEMBL9025083

SCHEMBL9025083

C=CC(C)(C)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8711127 0.82 TSHR (0.41) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL16382110 0.81 ALDH1A1 (0.40) TSHRIDO1AGXTALDH1A1CYP3A4
SCHEMBL8708909 0.81 ALDH1A1 (0.40) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9025685 0.80 TSHR (0.43) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL8419743 0.79 ALDH1A1 (0.39) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10839372 0.78 ALDH1A1 (0.38) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10839369 0.78 ALDH1A1 (0.38) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL28886018 0.78 TSHR (0.38) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL15602819 0.77 ATM (0.41) TSHRIDO1AGXTALDH1A1CYP3A4
SCHEMBL3410274 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212811-A1 AZEPINOINDOLES AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2023-11-09 WO disclosed
US-10597401-B2 Methods and intermediates for the preparation of omacetaxine and cephalotaxine derivatives thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2020-03-24 US disclosed
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF CURIA BUFFALO R&D, LLC 2018-05-17 US disclosed
US-9006231-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-04-14 US disclosed
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2014-06-19 US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 US disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 US disclosed
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 CN disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 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 (4 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-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP TSHR 2897/4885IDO1 2530/4885AGXT 697/4885
US-10597401-B2 Methods and intermediates for the preparation of omacetaxine and cephalotaxine derivatives thereof MAOB, MAOA, NISCH TSHR 3247/4885IDO1 199/4885AGXT 70/4885
US-20180134724-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OMACETAXINE AND CEPHALOTAXINE DERIVATIVES THEREOF MAOB, MAOA, NISCH TSHR 3247/4885IDO1 199/4885AGXT 70/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP TSHR 2897/4885IDO1 2530/4885AGXT 697/4885

“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.