SCHEMBL9016151

SCHEMBL9016151

CN(C)CCCN(C)CCN(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.73
CA2 P00918 1/20 0.73
CA3 P07451 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA5A P35218 1/20 0.73
CA7 P43166 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
CA5B Q9Y2D0 1/20 0.73
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
DNM1 Q05193 3/20 0.43
CHRM2 P08172 1/20 0.41
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36

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
SCHEMBL18231533 1.00 CA12 (0.73) CA12CA2CA3CA4CA6
SCHEMBL6051907 0.97 CA12 (0.79) CA12CA2CA3CA4CA6
SCHEMBL11506600 0.97 CA12 (0.67) CA12CA2CA3CA4CA6
SCHEMBL4594931 0.93 ALDH1A1 (0.62) CA12CA2CA3CA4CA6
SCHEMBL18173575 0.93 TSHR (0.60) CA12CA2CA3CA4CA6
SCHEMBL272639 0.93 TSHR (0.60) CA12CA2CA3CA4CA6
SCHEMBL10230058 0.90 ALDH1A1 (0.67) CA12CA2CA3CA4CA6
Ammonia Solution, Strong SCHEMBL18173536 0.90 TSHR (0.56) CA12CA2CA3CA4CA6
SCHEMBL19545891 0.86 ALDH1A1 (0.71) CA12CA2CA3CA4CA6
SCHEMBL26135085 0.86 ALDH1A1 (0.69) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378875-B1 ACYLPHOSPHINE OXIDE COMPOUND, USE OF THE ACYLPHOSPHINE OXIDE COMPOUND, PRODUCING METHOD OF A PHOTOPOLYMERIZATION INITIATOR, POLYMERIZABLE COMPOSITION, AND INK JET RECORDING METHOD FUJIFILM CORP (JP) 2023-02-22 EP disclosed
EP-4011925-A1 ANIONIC POLYMERIZATION INITIATOR, ANIONIC POLYMERIZATION INITIATOR COMPOSITION, AND METHOD FOR PREPARING SAME LG Chem, Ltd. (KR) 2022-06-15 EP disclosed
EP-3995489-A2 DISULFIDE COMPOUNDS FOR DELIVERY OF PHARMACEUTICAL AGENTS Tufts University (US) 2022-05-11 EP disclosed
EP-2961733-B1 DISULFIDE COMPOUNDS FOR DELIVERY OF PHARMACEUTICAL AGENTS UNIV TUFTS (US) 2021-01-13 EP disclosed
US-10662355-B2 Pressure-sensitive adhesive composition, process for producing same, and pressure-sensitive adhesive film MITSUI CHEMICALS TOHCELLO, INC. (JP) 2020-05-26 US disclosed
US-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed
US-20180237672-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION, PROCESS FOR PRODUCING SAME, AND PRESSURE-SENSITIVE ADHESIVE FILM MITSU CHEMICALS TOHCELLO, INC. (JP) 2018-08-23 US disclosed
EP-3348623-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITION, PROCESS FOR PRODUCING SAME, AND PRESSURE-SENSITIVE ADHESIVE FILM Mitsui Chemicals Tohcello, Inc. (JP) 2018-07-18 EP disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
WO-2010107816-A2 NUCLEIC ACID BINDING DYES AND USES THEREFOR PROMEGA CORPORATION (US) 2010-09-23 WO disclosed
US-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2010-09-16 US disclosed
US-20090068672-A1 DETECTION SYSTEM ENIGMA DIAGNOSTICS LIMITED (GB) 2009-03-12 US disclosed
US-20090068672-A1 DETECTION SYSTEM ENIGMA DIAGNOSTICS LIMITED (GB) 2009-03-12 US disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
WO-2007093816-A1 DETECTION SYSTEM ENIGMA DIAGNOSTICS LIMITED (GB) 2007-08-23 WO disclosed
EP-0410467-B1 Process for producing high resilience Polyurethane foam TOSOH CORP (JP) 1996-12-18 EP disclosed
US-5104907-A Amine type catalyst and water as blowing agent TOSOH CORPORATION (JP) 1992-04-14 US disclosed
EP-0410467-A2 Process for producing high resilience Polyurethane foam Tosoh Corporation (JP) 1991-01-30 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 (2 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-20100233710-A1 NUCLEIC ACID BINDING DYES AND USES THEREFOR POLRMT, POLB, POLL CA12 2734/4885CA2 1758/4885CA3 4154/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF CA12 2295/4885CA2 163/4885CA3 645/4885

“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.