SCHEMBL9941767

SCHEMBL9941767

OC(C#CC1CC1)(c1cc(Cl)ccc1Cl)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.52
CYP46A1 Q9Y6A2 6/20 0.38
NR3C1 P04150 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADRB1 P08588 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
CCKBR P32239 1/20 0.37
PPARG P37231 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL9941766 1.00 AR (0.52) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL524307 0.86 AR (0.50) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL14525275 0.86 AR (0.56) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL30436667 0.86 AR (0.50) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL524308 0.86 AR (0.50) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL14034147 0.83 AR (0.47) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL17046817 0.81 AR (0.46) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL17046816 0.81 AR (0.46) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL18548775 0.81 AR (0.46) ARCYP46A1NR3C1NR1I2PGR
SCHEMBL13685998 0.79 AR (0.47) ARCYP46A1MAPTPDK1PDK2

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-9676735-B2 Process for the preparation of efavirenz and devices suitable therefore MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-06-13 US claimed
US-20170057937-A1 Process for the preparation of Efavirenz and devices suitable therefore MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-03-02 US claimed
US-9676735-B2 Process for the preparation of efavirenz and devices suitable therefore MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-06-13 US disclosed
US-9676735-B2 Process for the preparation of efavirenz and devices suitable therefore MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-06-13 US disclosed
US-20170057937-A1 Process for the preparation of Efavirenz and devices suitable therefore MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-03-02 US disclosed
US-20170057937-A1 Process for the preparation of Efavirenz and devices suitable therefore MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-03-02 US disclosed
WO-2012097511-A1 DMP-266 BY CYCLISATION LONZA LTD (CH) 2012-07-26 WO disclosed
WO-2012097510-A1 PROCESS FOR PREPARATION OF EFAVIRENZ BY CYCLISATION LONZA LTD (CH) 2012-07-26 WO disclosed
WO-2012079235-A1 PROCESS FOR PREPARING EFAVIRENZ LONZA LTD (CH) 2012-06-21 WO 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-20170057937-A1 Process for the preparation of Efavirenz and devices suitable therefore CYP3A4, CYP2C19, CYP3A43 AR 3329/4885CYP46A1 120/4885NR3C1 2795/4885

“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.