SCHEMBL1409045

SCHEMBL1409045

CC(C)C[C]1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL7732834 1.00 CYP2D6 (0.33) CYP2D6ALDH1A1KDM4EHPGDHTT
SCHEMBL7739526 1.00 CYP2D6 (0.33) CYP2D6ALDH1A1KDM4EHPGDHTT
SCHEMBL7741087 1.00 CYP2D6 (0.33) CYP2D6ALDH1A1KDM4EHPGDHTT
SCHEMBL7739844 1.00 CYP2D6 (0.33) CYP2D6ALDH1A1KDM4EHPGDHTT
SCHEMBL1524683 0.97
SCHEMBL170561 0.91
SCHEMBL2460 0.84
SCHEMBL2878801 0.78
SCHEMBL10890308 0.76
SCHEMBL19356840 0.73

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 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103408572-A Chiral amino boric acid derivatives, and preparation method and application thereof UNIV SHANGHAI ENG SCIENCE 2013-11-27 CN claimed
US-5479555-A Based on a dicarbonate di(meth)acrylate; lenses; protective coatings for optical fibers ROT ALFRED (US) 1995-12-26 US claimed
EP-0193065-B1 Morpholine derivatives, processes for their production and their use as fungicides BASF AG (DE) 1995-08-23 EP claimed
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP disclosed
WO-2023170261-A1 READY-FOR-USE MILKY, VISCOUS AND STICKY PERFUME COMPLEX AND ASSOCIATED PERFUMED COMPOSITION EXPRESSIONS PARFUMEES (FR) 2023-09-14 WO disclosed
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN disclosed
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US disclosed
WO-2023067179-A1 FRAGRANCING COMPLEX, FRAGRANCING COMPOSITION AND FRAGRANCED AQUEOUS COMPOSITION OF NATURAL ORIGIN EXPRESSIONS PARFUMEES (FR) 2023-04-27 WO disclosed
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 CN disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO disclosed
US-20220121113-A1 OXIME ESTER PHOTOINITIATORS HAVING A SPECIAL AROYL CHROMOPHORE BASF SE (DE) 2022-04-21 US disclosed
WO-1989002890-A1 THIOHYDANTOIN COMPOUNDS OGAWA, KAZUO 1989-04-06 WO disclosed
US-4593090-A Containing perhydrofuran or pyran ring structure GOGO KIMURA (JP) 1986-06-03 US disclosed
US-4567174-A BACTERICIDES, FUNGICIDES, CONTRACEPTIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US disclosed
EP-0003735-B1 INITIATOR MIXTURES COMPRISING ORGANIC PEROXIDES AND SUBSTITUTED DIPHENYLETHANES AND A PROCESS FOR THE STABILISATION OF ORGANIC PEROXIDES BY THE PREPARATION OF SUCH MIXTURES BAYER AG (DE) 1981-05-13 EP disclosed
US-4219674-A FREE RADICAL POLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4219626-A Accelerators for radical polymerization reactions with initiators free from peroxide groups BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
EP-0003735-A1 Initiator mixtures comprising organic peroxides and substituted diphenylethanes and a process for the stabilisation of organic peroxides by the preparation of such mixtures BAYER AG (DE) 1979-09-05 EP disclosed
US-4113665-A PROTECTIVE AMERON, INC. (US) 1978-09-12 US disclosed
US-4080322-A WATER SOLUBLE DYES FOR LEATHER, PAPER, AND NON-WOVEN TEXTILES SANDOZ LTD. (CH) 1978-03-21 US 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-20230142648-A1 OXIME ESTER PHOTOINITIATORS OCIAD1, OCIAD2, OXER1 CYP2D6 350/4885ALDH1A1 964/4885KDM4E 1857/4885

“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.