SCHEMBL8959059

SCHEMBL8959059

CC1(C)CCC(Cc2ccc(Cl)cc2)=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
ALDH1A1 P00352 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ELANE P08246 1/20 0.31
MAPT P10636 1/20 0.31
SRD5A1 P18405 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8976063 0.73 ALDH1A1 (0.37) ALDH1A1POLBKMT2AELANESRD5A1
SCHEMBL8958895 0.70 DAO (0.35) DAOALDH1A1TAAR1ELANEMAPT
SCHEMBL9196655 0.70 ESR1 (0.36) DAOALDH1A1MEN1KMT2ACYP26A1
SCHEMBL15173592 0.69 HRH1 (0.34) DAOALDH1A1TAAR1MEN1KMT2A
SCHEMBL16321921 0.68 POLB (0.33) POLB
SCHEMBL8781689 0.66 TAAR1 (0.36) ALDH1A1TAAR1MEN1KMT2ACYP26A1
SCHEMBL14592601 0.65 GRIN1 (0.38) ALDH1A1TAAR1POLBMEN1KMT2A
SCHEMBL9331401 0.64 SLC6A3 (0.42) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2353667 0.63 IDO1 (0.44) DAOALDH1A1TAAR1MEN1KMT2A
SCHEMBL29003556 0.62 ADAM17 (0.37) ALDH1A1TAAR1MEN1KMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812299-A1 PROCESS FOR PREPARING CIS-5-[1-(4-CHLOROPHENYL)-METHYLENE]-1-HYDROXYMETHYL-2,2-DIMETHYLCYCLOPENTANOL BASF Agro B.V., Arnhem (NL), Zürich Branch (CH) 2014-12-17 EP disclosed
WO-2013117629-A1 PROCESS FOR PREPARING CIS-5-[1-(4-CHLOROPHENYL)-METHYLENE]-1-HYDROXYMETHYL-2,2-DIMETHYLCYCLOPENTANOL BASF AGRO B.V., ARNHEM (NL), ZÜRICH-BRANCH (CH) 2013-08-15 WO disclosed
WO-2013117629-A1 PROCESS FOR PREPARING CIS-5-[1-(4-CHLOROPHENYL)-METHYLENE]-1-HYDROXYMETHYL-2,2-DIMETHYLCYCLOPENTANOL BASF AGRO B.V., ARNHEM (NL), ZÜRICH-BRANCH (CH) 2013-08-15 WO disclosed
US-20130184470-A1 Process for preparing 5-[1-(4-chlorophenyl)-methylene]-1-hydroxymethyl-2,2-dimethyl-cyclopentanol BASF SE (DE) 2013-07-18 US disclosed
US-20130184470-A1 Process for preparing 5-[1-(4-chlorophenyl)-methylene]-1-hydroxymethyl-2,2-dimethyl-cyclopentanol BASF SE (DE) 2013-07-18 US disclosed
EP-0474303-B1 Process for the preparation of cyclopentane derivatives and intermediates therefor SHELL INT RESEARCH (NL) 1996-01-17 EP disclosed
EP-0474301-B1 Cyclohexanone derivatives SHELL INT RESEARCH (NL) 1995-12-20 EP disclosed
US-5200535-A Intermediates for fungicides SHELL RESEARCH LIMITED (GB) 1993-04-06 US disclosed
US-5151550-A Cyclopentane derivatives SHELL RESEARCH LIMITED (GB) 1992-09-29 US disclosed
EP-0474301-A2 Cyclohexanone derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-11 EP disclosed
EP-0474303-A1 Process for the preparation of cyclopentane derivatives and intermediates therefor SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-11 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-20130184470-A1 Process for preparing 5-[1-(4-chlorophenyl)-methylene]-1-hydroxymethyl-2,2-dimethyl-cyclopentanol CYP2E1, DHPS, CYP1B1 DAO 525/4885ALDH1A1 105/4885RXRA 4309/4885

“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.