SCHEMBL1994532

SCHEMBL1994532

O=C(O)c1ccc(OCCF)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TSPO P30536 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
PTPN11 Q06124 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL1998151 0.87 ALDH1A1 (0.43) THRATHRBALDH1A1TSHRHSD17B10
SCHEMBL3904366 0.82 CA12 (0.52) ALDH1A1TSHRCA12CA1CA9
SCHEMBL16909329 0.81 THRA (0.48) THRATHRBALDH1A1TSPORARA
SCHEMBL5063442 0.81 SMN1; SMN2 (0.49) THRATHRBALDH1A1TSHRTSPO
SCHEMBL19873259 0.80 HSD17B10 (0.60) THRATHRBALDH1A1TSHRHSD17B10
SCHEMBL21818769 0.79 MCL1 (0.48) ALDH1A1CA12CA1CA9RARA
SCHEMBL21818348 0.77 ALDH1A1 (0.49) ALDH1A1PTPN11MCL1
SCHEMBL4409803 0.76 KDM4E (0.68) ALDH1A1TSHRHSD17B10TSPORARA
SCHEMBL1180221 0.75 LCK (0.58) ALDH1A1HSD17B10LCKFYNCA1
Hydrochloric Acid SCHEMBL9440732 0.75 MAOB (0.58) ALDH1A1HSD17B10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 THRA 83/4885THRB 149/4885ALDH1A1 1954/4885

“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.