SCHEMBL6865339

SCHEMBL6865339

CCOC(=O)CC1(C#N)c2ccccc2Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.39
CCR1 P32246 1/20 0.39
ALOX5 P09917 1/20 0.39
PPID Q08752 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6870754 0.83 SMN1; SMN2 (0.41) POLBALDH1A1SMN1; SMN2PPIDGAA
SCHEMBL6867000 0.81 CCR1 (0.40) SMN1; SMN2CCR1PPIDGAATDP1
SCHEMBL6867009 0.81 BCHE (0.43) ALDH1A1SMN1; SMN2PPIDGAATDP1
SCHEMBL9198556 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CCR1PPIDGAA
SCHEMBL4024039 0.71 GLA (0.47) POLBALDH1A1SMN1; SMN2CYP3A4ALOX5
SCHEMBL11662107 0.69 SIGMAR1 (0.40) SMN1; SMN2PPIDGAA
SCHEMBL11815671 0.69 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2PPIDGAA
SCHEMBL6983726 0.69 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2CYP3A4ALOX5
SCHEMBL7679291 0.68 APP (0.52) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL11110321 0.68 ALDH1A1 (0.47) ALDH1A1CYP3A4PPIDGAAMAPT

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-6806283-B2 SUCH AS SPIRO(9,10-DIHYDROANTHRACENE)-9,3'-PYRROLIDINE; FOR USE AS ANTIDEPRESSANT AND ANTIANXIETY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2004-10-19 US disclosed
US-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 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-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof HTR2A, HTR7, HTR1A POLB 3636/4885ALDH1A1 1660/4885SMN1; SMN2 1356/4885

“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.