SCHEMBL17940154

SCHEMBL17940154

Oc1c(-c2ccccc2)oc2cc3ccccc3cc2c1=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.49
▸ KDM4E B2RXH2 9/20 0.49
▸ MEN1 O00255 9/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ MAPT P10636 7/20 0.49
▸ HSD17B10 Q99714 7/20 0.49
▸ ALOX15 P16050 4/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ ABCG2 Q9UNQ0 3/20 0.48
▸ MAPK1 P28482 5/20 0.46
▸ TP53 P04637 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ CYP1B1 Q16678 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CALM1 P0DP23 1/20 0.46
▸ AR P10275 1/20 0.46

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
SCHEMBL17943840 0.88 TP53 (0.51) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL17940149 0.82 ALDH1A1 (0.39) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL17940142 0.81 CYP3A4 (0.68) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL26661232 0.80 KDM4E (0.65) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL17940164 0.72 KDM4E (0.56) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL27929423 0.71 KDM4E (0.52) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL17944028 0.71 TP53 (0.70) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL27356912 0.70 ESR1 (0.46) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL12172657 0.69 ESR1 (0.42) CYP3A4KDM4EMEN1KMT2AMAPT
SCHEMBL10370983 0.69 GPR35 (0.44) CYP3A4KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840488-B2 Carbon monoxide releasing molecules and associated methods UTAH STATE UNIVERSITY (US) 2017-12-12 — — US disclosed
US-9840488-B2 Carbon monoxide releasing molecules and associated methods UTAH STATE UNIVERSITY (US) 2017-12-12 — — US disclosed
US-9840488-B2 Carbon monoxide releasing molecules and associated methods UTAH STATE UNIVERSITY (US) 2017-12-12 — — US disclosed
WO-2016123141-A1 CARBON MONOXIDE RELEASING MOLECULES AND ASSOCIATED METHODS BERREAU LISA M (US) 2016-08-04 — — WO disclosed
WO-2016123141-A1 CARBON MONOXIDE RELEASING MOLECULES AND ASSOCIATED METHODS BERREAU LISA M (US) 2016-08-04 — — WO disclosed
US-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods UTAH STATE UNIVERSITY (US) 2016-07-28 — — US disclosed
US-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods UTAH STATE UNIVERSITY (US) 2016-07-28 — — US disclosed
US-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods UTAH STATE UNIVERSITY (US) 2016-07-28 — — 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 (1 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-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods MB, CORO1C, CYCS CYP3A4 698/4885KDM4E 1691/4885MEN1 3240/4885

“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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