SCHEMBL21668009

SCHEMBL21668009

CC(C)(C)Nc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
IDO1 P14902 1/20 0.45
DHFR P00374 1/20 0.40
SALL4 Q9UJQ4 2/20 0.39
DNMT1 P26358 1/20 0.39
ATM Q13315 1/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.36
TYMP P19971 1/20 0.36
CYP2A6 P11509 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL29786639 0.81 ALOX15 (0.45) ALDH1A1IDO1DHFRDNMT1MAPT
SCHEMBL15303990 0.81 ALOX15 (0.45) ALDH1A1IDO1DHFRDNMT1MAPT
SCHEMBL12223375 0.77 IDO1 (0.45) ALDH1A1IDO1DHFRDNMT1MAPT
SCHEMBL2622223 0.76 IDO1 (0.55) ALDH1A1IDO1ATMRAB9AALOX15
SCHEMBL31303189 0.76 IDO1 (0.55) ALDH1A1IDO1ATMRAB9AALOX15
SCHEMBL24432818 0.74 ALDH1A1 (0.50) ALDH1A1DHFRATMMAPTMEN1
SCHEMBL10609908 0.74 KDM4E (0.54) ALDH1A1MAPTALOX15HSD17B10GSK3B
SCHEMBL16361123 0.74 RAPGEF4 (0.46) ALDH1A1DHFRMAPTMEN1KMT2A
SCHEMBL10719829 0.74 IDO1 (0.58) ALDH1A1IDO1SALL4ATMTRIM24
SCHEMBL28071969 0.73 ALDH1A1 (0.45) ALDH1A1DHFRDNMT1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2023-10-10 US disclosed
US-20220032280-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2022-02-03 US disclosed
US-11155505-B2 Synthesis of pheromones and related materials via olefin metathesis PROVIVI, INC. (US) 2021-10-26 US disclosed
US-11077433-B2 Production of fatty olefin derivatives via olefin metathesis PROVIVI, INC. (US) 2021-08-03 US disclosed
US-20210130270-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES PROVIVI, INC. (US) 2021-05-06 US disclosed
US-20200261898-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2020-08-20 US disclosed
US-20200039900-A1 SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS PROVIVI, INC. (US) 2020-02-06 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 (7 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-20200039900-A1 SYNTHESIS OF PHEROMONES AND RELATED MATERIALS VIA OLEFIN METATHESIS OSBPL8, CYP51A1, ERG28 ALDH1A1 3873/4885IDO1 2287/4885DHFR 2082/4885
US-20200261898-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS SREBF1, F2, SREBF2 ALDH1A1 1913/4885IDO1 1929/4885DHFR 1783/4885
US-11779911-B2 Production of fatty olefin derivatives via olefin metathesis SREBF1, F2, SREBF2 ALDH1A1 1913/4885IDO1 1929/4885DHFR 1783/4885
US-20210130270-A1 SYNTHESIS OF STRAIGHT-CHAIN LEPIDOPTERAN PHEROMONES THROUGH ONE- OR TWO- CARBON HOMOLOGATION OF FATTY ALKENES COASY, FASN, CYP11A1 ALDH1A1 837/4885IDO1 4030/4885DHFR 1461/4885
US-11077433-B2 Production of fatty olefin derivatives via olefin metathesis SREBF1, F2, SREBF2 ALDH1A1 1913/4885IDO1 1929/4885DHFR 1783/4885
US-20220032280-A1 PRODUCTION OF FATTY OLEFIN DERIVATIVES VIA OLEFIN METATHESIS SREBF1, F2, SREBF2 ALDH1A1 1913/4885IDO1 1929/4885DHFR 1783/4885
US-11155505-B2 Synthesis of pheromones and related materials via olefin metathesis OSBPL8, CYP51A1, ERG28 ALDH1A1 3873/4885IDO1 2287/4885DHFR 2082/4885

“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.