SCHEMBL15978299

SCHEMBL15978299

COc1ccc2c(c1)[C@@]1(C)CC[C@H](I)C(C)(C)[C@@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.63
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL806502 1.00 POLA1 (0.63) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15978308 0.84 POLA1 (0.63) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14493980 0.84 POLA1 (0.63) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14493978 0.84 POLA1 (0.63) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14539478 0.84 POLA1 (0.63) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15978371 0.82 POLA1 (0.48) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL806501 0.82 POLA1 (0.48) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15980588 0.82 POLA1 (0.41) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL806818 0.82 POLA1 (0.41) POLA1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL15978322 0.80 POLA1 (0.76) POLA1CYP3A4CYP2C9TSHRCYP2C19

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM POLA1 2591/4885CYP3A4 421/4885CYP2C9 2188/4885

“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.