SCHEMBL21887783

SCHEMBL21887783

CC(C)CC(c1oc(CO)cc(=O)c1O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 16/20 0.49
TEAD1 P28347 1/20 0.45
TEAD2 Q15562 1/20 0.45
TEAD3 Q99594 1/20 0.45
GPR84 Q9NQS5 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL20601842 0.88 GPR84 (0.55) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL21887350 0.85 FFAR1 (0.51) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20601510 0.85 TEAD4 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20601552 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20601560 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20624411 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20624680 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20624406 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20624408 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84
SCHEMBL20624608 0.84 HDAC3 (0.47) TEAD4TEAD1TEAD2TEAD3GPR84

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-11180486-B2 Indolylkojyl methane analogues, process of preparation thereof and use as inhibitor of cancer cells invasion and metastasis COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-11-23 US disclosed
US-20200115365-A1 INDOLYLKOJYL METHANE ANALOGUES, PROCESS OF PREPARATION THEREOF AND USE AS INHIBITOR OF CANCER CELLS INVASION AND METASTASIS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-04-16 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 (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-20200115365-A1 INDOLYLKOJYL METHANE ANALOGUES, PROCESS OF PREPARATION THEREOF AND USE AS INHIBITOR OF CANCER CELLS INVASION AND METASTASIS MIF, CYP11B1, CCNI TEAD4 1017/4885TEAD1 1189/4885TEAD2 1351/4885
US-11180486-B2 Indolylkojyl methane analogues, process of preparation thereof and use as inhibitor of cancer cells invasion and metastasis MIF, CYP11B1, MKI67 TEAD4 1059/4885TEAD1 1211/4885TEAD2 1332/4885

“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.