SCHEMBL637368

SCHEMBL637368

O[C@@H]1c2c(ccc3ccccc23)C=C[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPRT1 P00492 1/20 0.35
CES1 P23141 1/20 0.35
CYP1A2 P05177 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL637369 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL637370 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL30138720 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12537716 0.78 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29812276 0.75 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28892106 0.74 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28632731 0.74 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5176388 0.74 CYP1A2 (0.37) KDM4EALDH1A1CYP2A6TSHRHSD17B10
Hydrochloric Acid SCHEMBL466225 0.73 CYP2A6 (0.33) KDM4EALDH1A1CYP2A6TSHRHSD17B10
Hydrochloric Acid SCHEMBL2356550 0.73 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2015-08-27 US disclosed
US-8962800-B2 Nucleic acids and proteins and methods for making and using them BP CORPORATION NORTH AMERICA INC. (US) 2015-02-24 US disclosed
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them BP CORPORATION NORTH AMERICA INC. (US) 2012-10-18 US disclosed
US-8119385-B2 Nucleic acids and proteins and methods for making and using them BP CORPORATION NORTH AMERICA INC. (US) 2012-02-21 US disclosed
US-20110296543-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF CALIFORNIA (US) 2011-12-01 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-01-14 US disclosed
US-6794167-B2 PROTEIN COMPLEX FOR USE IN THE BIOSYNTHESIS OF PREFERENTIAL COMPOUNDS UNIVERSITY OF IOWA RESEARCH FOUNDATION 2004-09-21 US disclosed
US-20030022335-A1 Novel polypeptides and methods for their use UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-01-30 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 (3 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-20150240226-A1 NUCLEIC ACIDS AND PROTEINS AND METHODS FOR MAKING AND USING THEM POLN, POLM, POLI KDM4E 3751/4885ALDH1A1 2292/4885CYP2A6 4332/4885
US-20120266329-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI KDM4E 3751/4885ALDH1A1 2292/4885CYP2A6 4332/4885
US-20100011456-A1 Nucleic Acids and Proteins and Methods for Making and Using Them POLN, POLM, POLI KDM4E 3751/4885ALDH1A1 2292/4885CYP2A6 4332/4885

“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.