SCHEMBL995987

SCHEMBL995987

O=C(O)N(CCCl)CCCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PMP22 Q01453 2/20 0.34
GMNN O75496 1/20 0.34
CYP2D6 P10635 1/20 0.34
GABRA1 P14867 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCB11 O95342 1/20 0.32
GSR P00390 1/20 0.32

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
SCHEMBL10828233 0.87 CA12 (0.44) TSHRMAPTALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16447333 0.87 LMNA (0.33) TSHRLMNAMAPTALDH1A1PMP22
SCHEMBL897358 0.84
SCHEMBL10827955 0.83 CA12 (0.48) TSHRALDH1A1TP53TDP1NPC1
SCHEMBL1950012 0.82 HDAC1 (0.35) TSHRLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL10828191 0.80 CA12 (0.44) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL10828032 0.78 CA12 (0.45) TSHRLMNAMAPTALDH1A1PMP22
SCHEMBL559019 0.78 PIN1 (0.33)
SCHEMBL571432 0.75 TSHR (0.35) TSHRLMNAMAPTALDH1A1PMP22
SCHEMBL8711678 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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129243-B1 NON-AQUEOUS ELECTROCHEMICAL CELL HONEYWELL INC. (US) 1988-10-19 EP claimed
US-4439503-A N,N-DIHALOCARBAMATE HONEYWELL INC. (US) 1984-03-27 US claimed
US-12637492-B2 Peptide inhibitors of focal adhesion kinase activity and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-05-26 US disclosed
US-12521386-B2 Small molecule inhibitors of the androgen receptor activity and/or expression and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-13 US disclosed
US-12509468-B2 Quindoline compounds and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-12-30 US disclosed
US-20250189527-A1 COMPOSITIONS AND METHODS FOR DETECTING, PREDICTING RISK OF DEVELOPING, AND TREATING LEPTOMENINGEAL DISEASE DUKE UNIVERSITY 2025-06-12 US disclosed
CN-118271237-A Substituted phenol derivative and use thereof 成都麻沸散医药科技有限公司 2024-07-02 CN disclosed
CN-114026082-B Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2024-06-07 CN disclosed
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
US-11944626-B2 Small molecule inhibitors of ALDH and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-04-02 US disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
US-4751161-A CONTAINING HALOCARBON CATHODE DEPOLARIZER AND CARBON CATHODE WITH COBALT, NICKEL, OR IRON MALROCYCLIC CATALYST THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1988-06-14 US disclosed
US-4592869-A Selective acylation process AKTIEBOLAGET LEO (SE) 1986-06-03 US disclosed
EP-0138153-A2 A selective acylation process AB LEO (SE) 1985-04-24 EP disclosed
EP-0129243-A1 Non-aqueous electrochemical cell HONEYWELL INC. (US) 1984-12-27 EP disclosed
US-4439503-A N,N-DIHALOCARBAMATE HONEYWELL INC. (US) 1984-03-27 US disclosed
US-4177289-A FUNGICIDES, HERBICIDES, BACTERICIDES EXXON RESEARCH & ENGINEERING CO. (US) 1979-12-04 US disclosed
US-4171449-A Addition of N,N-dichloro-N-acyl compounds to conjugated dienes and bis-N-chlorocrotyl carbamate products therefrom EXXON RESEARCH & ENGINEERING CO. (US) 1979-10-16 US disclosed
US-4170608-A REDUCTION, PESTICIDES EXXON RESEARCH & ENGINEERING CO. (US) 1979-10-09 US disclosed
US-4146557-A CHLORINATION, DECHLORINATION, ALKYLATION EXXON RESEARCH & ENGINEERING CO. (US) 1979-03-27 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 (3 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-12509468-B2 Quindoline compounds and uses thereof TPD52L2, BRDT, RECQL TSHR 2558/4885LMNA 2504/4885MAPT 1757/4885
US-11944626-B2 Small molecule inhibitors of ALDH and uses thereof ALDH2, ALDH1A1, ALDH3A1 TSHR 3677/4885LMNA 4748/4885MAPT 2448/4885
US-12637492-B2 Peptide inhibitors of focal adhesion kinase activity and uses thereof PTK2, ILK, FPR2 TSHR 4402/4885LMNA 1096/4885MAPT 3761/4885

“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.