SCHEMBL6970068

SCHEMBL6970068

COc1c(C)ccc2ccc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ NQO2 P16083 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ MERTK Q12866 1/20 0.30
▸ SLC40A1 Q9NP59 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30

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
SCHEMBL4177755 0.82 ALDH1A1 (0.40) MCHR1ALDH1A1MAPTTDP2NSD2
SCHEMBL14567654 0.81 MCHR1 (0.37) MCHR1ALDH1A1TDP2NSD2NQO2
SCHEMBL20873730 0.81 ALDH1A1 (0.46) MCHR1ALDH1A1MAPTRAB9ANQO2
SCHEMBL13458731 0.80 CCR1 (0.56) MAPTRAB9ACCR1CCR5
SCHEMBL4177760 0.79 NQO2 (0.49) MCHR1ALDH1A1TDP2NSD2RAB9A
SCHEMBL4173484 0.79 MCHR1 (0.36) MCHR1ALDH1A1TDP2NSD2RAB9A
SCHEMBL6970064 0.77 TUBB4A (0.34) MAPTRAB9ACCR1CCR5LMNA
SCHEMBL28942691 0.77 ALOX5AP (0.35) MCHR1ALDH1A1TDP2NSD2
SCHEMBL558748 0.77 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EHSP90AA1
SCHEMBL21705311 0.75 CCR1 (0.37) ALDH1A1RAB9ACCR1CCR5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 — — WO 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-7470788-B2 Antitumor agents WAYNE STATE UNIVERSITY (US) 2008-12-30 — — 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

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 MCHR1 2616/4885ALDH1A1 592/4885MAPT 4737/4885
US-20090069372-A1 ANTITUMOR AGENTS NHERF1, BACH1, MCL1 MCHR1 2868/4885ALDH1A1 849/4885MAPT 4785/4885
US-20070054938-A1 Antitumor agents TP53, NHERF1, MCL1 MCHR1 2616/4885ALDH1A1 592/4885MAPT 4737/4885

“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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