SCHEMBL6140797

SCHEMBL6140797

O=C(C1CCCCC1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA7 P36544 1/20 0.44
HSD11B1 P28845 2/20 0.42
HPGD P15428 1/20 0.42
EPHX1 P07099 6/20 0.41
RECQL P46063 1/20 0.41
HSD11B2 P80365 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 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
SCHEMBL28141435 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL993393 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27542869 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6937404 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6141408 0.97 CES2 (0.56) CES2CES1HDAC8HDAC6TSHR
SCHEMBL31486636 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL346017 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9861947 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL27502916 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9259378 0.97 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763627-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkyfurans HUELS AKTIENGESELLSCHAFT (DE) 1998-06-09 US claimed
US-20240174698-A1 MODULAR SYNTHESIS OF 1,2-AZABORINES VIA RING-OPENING BN-ISOSTERE BENZANNULATION THE UNIVERSITY OF CHICAGO 2024-05-30 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
EP-0820977-B1 Process for the preparation of cyclopropylalkylketones and 4,5-dihydroalkylfurans DEGUSSA (DE) 2000-04-26 EP disclosed
US-5763627-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkyfurans HUELS AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed
EP-0820977-A1 Process for the preparation of cyclopropylalkylketones and 4,5-dihydroalkylfurans HÜLS AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed
EP-0725066-B1 Process for the production of cyclopropylalkylketones and 4,5-dihydroalkylfuranes HUELS CHEMISCHE WERKE AG (DE) 1997-07-16 EP disclosed
US-5629455-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkylfurans HUELS AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0725066-A1 Process for the production of cyclopropylalkylketones and 4,5-dihydroalkylfuranes HÜLS AKTIENGESELLSCHAFT (DE) 1996-08-07 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-20240174698-A1 MODULAR SYNTHESIS OF 1,2-AZABORINES VIA RING-OPENING BN-ISOSTERE BENZANNULATION NBAS, DBF4, ALKBH2 CES2 2769/4885CES1 4199/4885HDAC8 3575/4885

“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.