SCHEMBL17817099

SCHEMBL17817099

CCCCCCCCCCCCCCCCNC(=O)CCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
CASP2 P42575 1/20 0.59
MAPT P10636 2/20 0.57
NAAA Q02083 2/20 0.56
ALDH1A1 P00352 1/20 0.54
FAAH O00519 3/20 0.49
TERT O14746 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
RAD52 P43351 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DNM1 Q05193 1/20 0.46

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
SCHEMBL21827446 0.92 KDM4E (0.60) KDM4ECASP2MAPTNAAAALDH1A1
SCHEMBL24412952 0.92 CASP2 (0.65) KDM4ECASP2NAAAFAAHGNAI3
SCHEMBL24412633 0.92 CASP2 (0.65) KDM4ECASP2NAAAFAAHGNAI3
SCHEMBL24001250 0.91 KDM4E (0.59) KDM4ECASP2NAAAALDH1A1FAAH
SCHEMBL21998740 0.88 KDM4E (0.62) KDM4ECASP2MAPTALDH1A1FAAH
SCHEMBL21998674 0.88 KDM4E (0.62) KDM4ECASP2MAPTALDH1A1FAAH
SCHEMBL24412716 0.88 CASP2 (0.59) KDM4ECASP2NAAAALDH1A1FAAH
SCHEMBL21998662 0.88 KDM4E (0.62) KDM4ECASP2MAPTALDH1A1FAAH
SCHEMBL9633481 0.88 KDM4E (0.62) KDM4ECASP2MAPTALDH1A1FAAH
SCHEMBL8587735 0.88 KDM4E (0.62) KDM4ECASP2MAPTALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 KDM4E 812/4885CASP2 248/4885MAPT 4762/4885

“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.