SCHEMBL9314481

SCHEMBL9314481

O=C(O)C1(c2c(F)cccc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.45
HDAC4 P56524 5/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
APP P05067 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALB P02768 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40

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
SCHEMBL25303177 0.92 AKR1C1 (0.52) AKR1C1HDAC4AKR1C3AKR1C2CES2
SCHEMBL28679746 0.87 ALDH1A1 (0.45) AKR1C1HDAC4APPCYP2C19CYP2C9
SCHEMBL20242254 0.87 HDAC4 (0.60) AKR1C1HDAC4AKR1C3AKR1C2APP
SCHEMBL20249843 0.87 HDAC4 (0.60) AKR1C1HDAC4AKR1C3AKR1C2CES2
SCHEMBL31445382 0.82 AKR1C3 (0.36) AKR1C1HDAC4AKR1C3AKR1C2APP
SCHEMBL3860372 0.81 HDAC4 (0.42) HDAC4CES2CES1ALB
SCHEMBL20242085 0.80 HDAC4 (0.61) AKR1C1HDAC4AKR1C3AKR1C2CES2
SCHEMBL3373867 0.80 HDAC4 (0.70) AKR1C1HDAC4AKR1C3AKR1C2APP
SCHEMBL31125559 0.79 HDAC4 (0.59) AKR1C1HDAC4AKR1C3AKR1C2APP
SCHEMBL301133 0.79 HDAC4 (0.59) AKR1C1HDAC4AKR1C3AKR1C2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861072-A Preparation method of aryl cyclopropane compound 上海麦克林生化科技有限公司 2021-12-31 CN disclosed
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 US disclosed
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
EP-0459285-B1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF AG (DE) 1994-12-14 EP disclosed
US-5371268-A Ortho-substituted benzyl esters of cyclopropanecarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0459285-A1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF Aktiengesellschaft (DE) 1991-12-04 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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A AKR1C1 19/4885HDAC4 2184/4885AKR1C3 16/4885

“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.