SCHEMBL16419700

SCHEMBL16419700

Cc1ccc(C(=O)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(C(=O)c3ccc(C(F)(F)F)cc3)ccc2-4)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.45
▸ PDK2 Q15119 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ CYP1A1 P04798 2/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2C8 P10632 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ TTR P02766 1/20 0.37

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
SCHEMBL14073395 0.95 SRD5A2 (0.50) SRD5A2PDK2CYP2C8NPC1RAB9A
SCHEMBL1637360 0.89 ALDH1A1 (0.53) SRD5A2PDK2ALDH1A1LMNARAB9A
SCHEMBL14073419 0.82 SIRT1 (0.54) SRD5A2PDK2ALDH1A1LMNANPC1
SCHEMBL10227418 0.80 ALDH1A1 (0.53) SRD5A2PDK2ALDH1A1LMNARAB9A
SCHEMBL9776264 0.80 SRD5A2 (0.68) SRD5A2KDM1ACYP1A1CYP1B1ALDH1A1
SCHEMBL14073390 0.79 PDK2 (0.44) PDK2ALDH1A1LMNANPC1RAB9A
SCHEMBL14073388 0.76 CNR2 (0.50) PDK2LMNANPC1
SCHEMBL28558518 0.75 SRD5A2 (0.61) SRD5A2CYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL13045515 0.74 PDK2 (0.52) PDK2
SCHEMBL20036916 0.74 PDK2 (0.41) PDK2ALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9461249-B2 Compounds for organic electronic devices MERCK PATENT GMBH (DE) 2016-10-04 — — US disclosed
US-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-01-29 — — 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-20150031896-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES TYR, TOE1, GPX1 SRD5A2 1536/4885PDK2 1138/4885KDM1A 876/4885

“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.

Send feedback