SCHEMBL3495245

SCHEMBL3495245

N#CC1(CC(=O)O)CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
CACNA2D1 P54289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 3/20 0.40
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 1/20 0.33
MME P08473 1/20 0.32
DPP4 P27487 2/20 0.32

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
SCHEMBL840651 1.00 CYP2C19 (0.48) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL3909670 0.98 CYP2C19 (0.47) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2805815 0.98 CYP2C19 (0.45) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL2807409 0.93 HSD11B1 (0.41) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL7552932 0.89
SCHEMBL5692544 0.81 ALDH1A1 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL8839908 0.79 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
Potassium Ion SCHEMBL3909671 0.79 ALDH1A1 (0.37) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL14744077 0.78 MCL1 (0.36) CYP2C19ALDH1A1CYP1A2USP2LMNA
SCHEMBL31119581 0.76 P2RX7 (0.38) CYP2C19ALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 US claimed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 US disclosed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 US disclosed
US-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY 2010-06-03 US disclosed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 WO disclosed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 WO disclosed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 US disclosed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 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-20100137636-A1 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE BLVRB, BBOX1, GGH CYP2C19 1410/4885ALDH1A1 634/4885CYP1A2 253/4885

“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.