SCHEMBL20135317

SCHEMBL20135317

COC1(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RXRA P19793 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
SRD5A2 P31213 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40

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
SCHEMBL9628022 0.83 HPGD (0.50) CA1CA2TP53TSHRALDH1A1
SCHEMBL20135128 0.83 CA1 (0.55) CA1CA2TSHRSMN1; SMN2ALDH1A1
SCHEMBL10384839 0.77 CES2 (0.50) CA1CA2TP53SMN1; SMN2ALDH1A1
SCHEMBL14637529 0.75 OPRM1 (0.43) TSHRALDH1A1NPC1RAB9AKMT2A
SCHEMBL10600379 0.74 MAPT (0.38) TP53ALDH1A1KDM4EPOLBKMT2A
SCHEMBL9178437 0.74 TP53 (0.52) CA1CA2TP53TSHRRXRA
Terephthalic Acid SCHEMBL11164993 0.73 TSHR (0.75) CA1CA2TP53TSHRRXRA
P-Anisic Acid SCHEMBL1157044 0.70 CA1 (1.00) CA1CA2TP53TSHRRXRA
P-Anisic Acid SCHEMBL43335 0.70 CA1 (1.00) CA1CA2TP53TSHRRXRA
P-Anisic Acid SCHEMBL15548197 0.69 CA1 (0.95) CA1CA2RXRASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CA1 1423/4885CA2 579/4885TP53 4082/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CA1 1245/4885CA2 470/4885TP53 3806/4885

“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.