SCHEMBL4178974

SCHEMBL4178974

COc1c(F)ccc2ccc(O)nc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ AGTR1 P30556 2/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA13 Q8N1Q1 1/20 0.31
▸ MEP1B Q16820 1/20 0.31

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
SCHEMBL6970064 0.79 TUBB4A (0.34) MEN1NPC1RAB9AKMT2AAGTR1
SCHEMBL4176153 0.78 ALDH1A1 (0.42) MEN1NPC1RAB9AKMT2AAGTR1
SCHEMBL4180685 0.78 NQO2 (0.49) MEN1NPC1RAB9AKMT2AAGTR1
SCHEMBL4173484 0.78 MCHR1 (0.36) MEN1NPC1RAB9AKMT2A
SCHEMBL4700675 0.73 LMNA (0.52) MEN1NPC1RAB9AKMT2A
SCHEMBL16106494 0.71 CCR1 (0.35) —
SCHEMBL29091679 0.70 SLC6A3 (0.34) ESR1ESR2MEN1KMT2A
SCHEMBL6844002 0.70 CCR1 (0.43) RAB9AKMT2A
SCHEMBL9873091 0.70 KDM4E (0.43) KMT2ACA12CA1CA7CA9
SCHEMBL27498077 0.69 RET (0.33) ESR1ESR2MEN1KMT2AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-8183379-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2012-05-22 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-20090069372-A1 ANTITUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
US-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — US disclosed
CN-101258129-A Quinoline derivatives and use as antitumor agents UNIV WAYNE STATE (US) 2008-09-03 — — CN disclosed
EP-1940794-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2008-07-09 — — EP disclosed
WO-2007030780-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2007-03-15 — — WO disclosed
WO-2007030780-A2 QUINOLINE DERIVATIVES AND USE AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY (US) 2007-03-15 — — WO disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070060612-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — US disclosed
US-20070054938-A1 Antitumor agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 — — 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 (3 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-20070060612-A1 Antitumor agents TP53, NHERF1, MCL1 ESR1 4795/4885ESR2 4765/4885MEN1 38/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 ESR1 4794/4885ESR2 4753/4885MEN1 76/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 ESR1 4795/4885ESR2 4765/4885MEN1 38/4885

“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.

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