SCHEMBL1115439

SCHEMBL1115439

Clc1ccc(CCCCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ TAAR1 Q96RJ0 2/20 0.59
▸ KCNH2 Q12809 4/20 0.57
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ HDAC9 Q9UKV0 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ HTR3E A5X5Y0 1/20 0.52
▸ HTR3B O95264 1/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ HTR3D Q70Z44 1/20 0.52
▸ HTR3C Q8WXA8 1/20 0.52

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
SCHEMBL28966782 1.00 IGF1R (0.61) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL10365734 0.97 IGF1R (0.64) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL18050371 0.91 TAAR1 (0.62) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL12040532 0.90 MAOB (0.58) IGF1RALOX15KCNH2MAOBGPR84
SCHEMBL8723191 0.90 MAOB (0.58) IGF1RALOX15KCNH2MAOBGPR84
SCHEMBL11460578 0.88 KCNH2 (0.53) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL10610818 0.88 IGF1R (0.52) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL11400125 0.88 IGF1R (0.52) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL11353612 0.88 IGF1R (0.52) IGF1RALOX15TAAR1KCNH2HDAC3
SCHEMBL11335508 0.88 TAAR1 (0.67) IGF1RALOX15TAAR1KCNH2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373237-B1 METHODS FOR PRODUCING OXIRANE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MEDIGENE AG (DE) 2011-02-02 — — EP disclosed
US-7078543-B2 Methods for producing oxirane carboxylic acids and derivatives thereof MEDIGENE AKTIENGESELLSCHAFT (DE) 2006-07-18 — — US disclosed
US-20040236103-A1 Methods for producing oxirane carboxylic acids and derivatives thereof MEDIGENE AKTIENGESELLSCHAFT (DE) 2004-11-25 — — US disclosed
EP-1373237-A1 METHODS FOR PRODUCING OXIRANE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MediGene Aktiengesellschaft (DE) 2004-01-02 — — EP disclosed
WO-2002079178-A1 METHODS FOR PRODUCING OXIRANE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF MEDIGENE AKTIENGESELLSCHAFT (DE) 2002-10-10 — — WO disclosed
US-4834905-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
US-4627933-A ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-12-09 — — US disclosed
EP-0104327-A2 Use of cyclic derivatives as components of liquid cristals MERCK PATENT GmbH (DE) 1984-04-04 — — 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-20040236103-A1 Methods for producing oxirane carboxylic acids and derivatives thereof ACSL5, HSD17B12, COASY IGF1R 3016/4885ALOX15 56/4885TAAR1 2553/4885

“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.

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