SCHEMBL21887350

SCHEMBL21887350

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
GPR84 Q9NQS5 1/20 0.51
TEAD4 Q15561 15/20 0.51
TEAD1 P28347 1/20 0.44
TEAD2 Q15562 1/20 0.44
TEAD3 Q99594 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL20624582 0.91 TEAD4 (0.46) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL21887783 0.85 TEAD4 (0.49) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20601842 0.83 GPR84 (0.55) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL21887518 0.82 TEAD4 (0.44) TEAD4TEAD1TEAD2TEAD3KDM4E
SCHEMBL20601510 0.81 TEAD4 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20601552 0.80 HDAC3 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20624608 0.80 HDAC3 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20624680 0.80 HDAC3 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20601560 0.80 HDAC3 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2
SCHEMBL20624406 0.80 HDAC3 (0.47) FFAR1GPR84TEAD4TEAD1TEAD2

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 FFAR1 4663/4885GPR84 3136/4885TEAD4 1017/4885
US-11180486-B2 Indolylkojyl methane analogues, process of preparation thereof and use as inhibitor of cancer cells invasion and metastasis MIF, CYP11B1, MKI67 FFAR1 4648/4885GPR84 2789/4885TEAD4 1059/4885

“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.