SCHEMBL3946486

SCHEMBL3946486

CC(C)(C)c1ccc(/C(Br)=C/C=C/C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
HDAC1 Q13547 1/20 0.43
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
RXRA P19793 2/20 0.41
RARA P10276 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP1A2 P05177 1/20 0.41
NR1H4 Q96RI1 3/20 0.41
EPHX2 P34913 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL3946489 1.00 SRD5A2 (0.46) SRD5A2HDAC1RARBRARGMEN1
SCHEMBL3946491 1.00 SRD5A2 (0.46) SRD5A2HDAC1RARBRARGMEN1
SCHEMBL3940623 0.84 NR4A1 (0.49) SRD5A2HDAC1CYP1A2EPHX2RAB9A
SCHEMBL3940626 0.84 NR4A1 (0.49) SRD5A2HDAC1CYP1A2EPHX2RAB9A
SCHEMBL3939814 0.84 NR4A1 (0.49) SRD5A2HDAC1CYP1A2EPHX2RAB9A
SCHEMBL4092546 0.83 SRD5A2 (0.49) SRD5A2HDAC1RARBRARGMEN1
SCHEMBL3937848 0.83 SRD5A2 (0.49) SRD5A2HDAC1RARBRARGMEN1
SCHEMBL3943637 0.81 ALDH1A1 (0.55) SRD5A2MEN1KMT2AALDH1A1HTT
SCHEMBL3943639 0.81 ALDH1A1 (0.55) SRD5A2MEN1KMT2AALDH1A1HTT
SCHEMBL3943635 0.81 ALDH1A1 (0.55) SRD5A2MEN1KMT2AALDH1A1HTT

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 SRD5A2 798/4885HDAC1 37/4885RARB 2135/4885

“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.