SCHEMBL803413

SCHEMBL803413

Cc1cc2cc(C(C)(C)C)ccc2c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 3/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1690485 0.81 ALDH1A1 (0.40) NR1I2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9880939 0.81 ALDH1A1 (0.42) NR1I2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL803133 0.76 CYP2A6 (0.50) NR1I2ALDH1A1HPGDKIF11TSHR
SCHEMBL12258269 0.75 CYP1A2 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL12227509 0.74 NR1I2 (0.36) NR1I2ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL21849329 0.73 POLB (0.59) ALDH1A1MAPTHPGDKIF11TSHR
SCHEMBL13613405 0.72 KDM4E (0.47) ALDH1A1SMN1; SMN2MAPTHSD17B10POLB
SCHEMBL15933155 0.72 POLB (0.53) ALDH1A1MAPTHSD17B10POLBGAA
SCHEMBL14970173 0.72 MPO (0.42) SMN1; SMN2MAPTNPC1RAB9AKIF11
SCHEMBL27251840 0.72 MPO (0.42) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 NR1I2 910/4885ALDH1A1 1597/4885SMN1; SMN2 3751/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 NR1I2 1112/4885ALDH1A1 1267/4885SMN1; SMN2 2971/4885

“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.