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SCHEMBL21786527

SCHEMBL21786527

Cn1nc(C(F)(F)F)cc1-c1ccc(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL21786494 0.86 AKR1C3 (0.40) RAB9ANPC1PTGS2ALOX5PTGS1
SCHEMBL21786504 0.81 PTGDR2 (0.36) PTGS2ALOX5PTGS1HDAC3HDAC4
SCHEMBL27270166 0.81 COMT (0.43) RAB9ANPC1PTGS2ALOX5PTGS1
SCHEMBL30381778 0.79 PTGDR2 (0.41) RAB9ANPC1PTGS2ALOX5PTGS1
SCHEMBL21786534 0.79 PTGER1 (0.38) ALOX5KDM4ESTIM1ORAI1MAPT
SCHEMBL21786528 0.78 ALDH1A1 (0.38) RAB9ANPC1KDM4EALDH1A1CNR1
SCHEMBL21786589 0.78 STIM1 (0.37) PTGS2PTGS1ALDH1A1CNR1STIM1
SCHEMBL21786614 0.77 PTGS2 (0.39) PTGS2PTGS1CNR1CNR2MAPT
SCHEMBL21786479 0.77 STIM1 (0.36) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL21786605 0.76 PTGS2 (0.37) PTGS2PTGS1CYP2C9CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 — — US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 — — US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 — — US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — 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 (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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 RAB9A 2795/4885NPC1 2687/4885PTGS2 4675/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 RAB9A 2795/4885NPC1 2687/4885PTGS2 4675/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 RAB9A 2795/4885NPC1 2687/4885PTGS2 4675/4885

“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.