SCHEMBL1994530

SCHEMBL1994530

CC(F)Oc1ccc(C(=O)O)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL1998149 0.87 ALDH1A1 (0.53) ALDH1A1LCKFYNKDM4EHSD17B10
SCHEMBL1180221 0.80 LCK (0.58) ALDH1A1LCKFYNAKR1C3AKR1C2
SCHEMBL10479858 0.76 KDM4E (0.67) ALDH1A1LCKFYNAKR1C3AKR1C2
SCHEMBL23354091 0.75 HSD17B10 (0.42) ALDH1A1LCKFYNAKR1C3AKR1C2
SCHEMBL3030351 0.75 ALDH1A1 (0.52) ALDH1A1LCKFYNAKR1C2POLB
SCHEMBL19873259 0.75 HSD17B10 (0.60) ALDH1A1LCKFYNAKR1C3AKR1C2
SCHEMBL16263288 0.72 LCK (0.44) ALDH1A1LCKFYNAKR1C3AKR1C2
SCHEMBL20039893 0.72 POLB (0.57) ALDH1A1AKR1C3KDM4EHPGDKMT2A
SCHEMBL31485885 0.72 TAS2R14 (0.49) ALDH1A1LCKFYNHSD17B10HPGD
SCHEMBL4649906 0.72 ALDH1A1 (0.71) ALDH1A1LCKFYNKDM4EHSD17B10

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 ALDH1A1 1954/4885LCK 2038/4885FYN 2326/4885

“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.