SCHEMBL2034712

SCHEMBL2034712

N#CCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL20836050 0.87 TSHR (0.36) TDP1CYP3A4ALDH1A1HPGDMEN1
SCHEMBL10580325 0.82 CYP3A4 (0.36) TDP1CYP3A4ALDH1A1HPGDMEN1
Thiocyanic Acid SCHEMBL9803811 0.79 TSHR (0.40) TDP1CYP3A4ALDH1A1TSHRCYP1A2
Thiocyanic Acid SCHEMBL10605673 0.79 TSHR (0.40) TDP1CYP3A4ALDH1A1TSHRCYP1A2
SCHEMBL25199901 0.78 ALDH1A1 (0.34) TDP1CYP3A4ALDH1A1HPGDMEN1
SCHEMBL24347511 0.78 ALDH1A1 (0.34) TDP1CYP3A4ALDH1A1HPGDMEN1
SCHEMBL28897741 0.78 ALDH1A1 (0.34) TDP1CYP3A4ALDH1A1HPGDMEN1
Nitrogen SCHEMBL5074218 0.78 CYP3A4 (0.45) TDP1CYP3A4ALDH1A1KDM4E
Cyanate SCHEMBL9803950 0.77 CYP3A4 (0.42) TDP1CYP3A4ALDH1A1TSHRCYP1A2
SCHEMBL27343 0.77 CYP3A4 (0.50) TDP1CYP3A4ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598053-B1 Use of a composition containing at least one phosphine as majority reducing agent to remove the artificial colour of keratinic fibres OREAL (FR) 2006-12-20 EP claimed
EP-1598053-A1 Use of a composition containing at least one phosphine as majority reducing agent to remove the artificial colour of keratinic fibres L'OREAL (FR) 2005-11-23 EP claimed
US-20050251928-A1 Method for stripping artificial color from keratin fibers L'OREAL (FR) 2005-11-17 US claimed
US-6476178-B1 Polycarbonate resin composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-11-05 US claimed
EP-0307026-B1 PROCESS FOR THE PREPARATION OF A BUTENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-18 EP claimed
EP-0259914-B1 NOVEL CATALYST COMPOSITIONS AND PROCESS FOR OLEFIN/CO COPOLYMERIZATION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-04 EP claimed
US-4859764-A Copolymerization of carbon monoxide and olefin with nitrogen containing phosphine ligand catalyst SHELL OIL COMPANY (US) 1989-08-22 US claimed
EP-0307026-A1 Process for the preparation of a butene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-15 EP claimed
EP-0259914-A1 Novel catalyst compositions and process for olefin/CO copolymerization SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-03-16 EP claimed
JP-1071828-A None JP disclosed
CN-117233281-B Method for detecting 2-cyanoethyl-N, N, N ', N' -tetraisopropyl phosphoramidite 上海奥锐特生物科技有限公司 2024-11-05 CN disclosed
US-20240239962-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE IDEMITSU KOSAN CO.,LTD. (JP) 2024-07-18 US disclosed
US-20240150574-A1 POLYCARBONATE RESIN COMPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2024-05-09 US disclosed
EP-4321555-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLES Idemitsu Kosan Co.,Ltd. (JP) 2024-02-14 EP disclosed
EP-0046331-A2 Nickel ylides GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-02-24 EP disclosed
US-4310716-A NICKEL YLIDE CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-01-12 US disclosed
US-4301318-A OBTAINED BY REACTING ETHYLENE USING A NICKEL YLIDE CATALYST; SOLVENT EXTRACTION OF CATALYST USING AMMONIUM HYDROXIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-11-17 US disclosed
US-4293727-A CATALYSIS WITH NICKEL YLIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-10-06 US disclosed
US-4293502-A CATALYST FOR OLIGOMERIZATION OF ETHYLENE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-10-06 US disclosed
US-4138256-A Method of processing photographic silver dye bleach materials CIBA-GEIGY AG (CH) 1979-02-06 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-20050251928-A1 Method for stripping artificial color from keratin fibers KRT18, DSG1, JUP TDP1 3996/4885CYP3A4 4442/4885ALDH1A1 4512/4885

“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.