SCHEMBL23717170

SCHEMBL23717170

CC[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.41
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
S1PR1 P21453 1/20 0.37
IDO1 P14902 3/20 0.37
PDE2A O00408 2/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22222396 1.00 TACR1 (0.41) TACR1AKR1C3AKR1C2S1PR1IDO1
SCHEMBL9886102 1.00 TACR1 (0.41) TACR1AKR1C3AKR1C2S1PR1IDO1
SCHEMBL22861022 0.92 TACR1 (0.38) TACR1AKR1C3AKR1C2S1PR1IDO1
SCHEMBL18682070 0.88 PDE2A (0.37) TACR1AKR1C3AKR1C2PDE2AALDH1A1
SCHEMBL19304361 0.88 PDE2A (0.37) TACR1AKR1C3AKR1C2PDE2AALDH1A1
SCHEMBL23717167 0.88 PDE2A (0.37) TACR1AKR1C3AKR1C2PDE2AALDH1A1
SCHEMBL2759877 0.88 RAPGEF4 (0.36) TACR1AKR1C3AKR1C2S1PR1PDE2A
SCHEMBL16770635 0.87 RAPGEF4 (0.37) TACR1AKR1C3AKR1C2S1PR1PDE2A
SCHEMBL23627166 0.87 RAPGEF4 (0.37) TACR1AKR1C3AKR1C2S1PR1PDE2A
SCHEMBL20072561 0.84 RXRA (0.40) TACR1AKR1C3AKR1C2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 TACR1 4535/4885AKR1C3 2532/4885AKR1C2 1864/4885

“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.