SCHEMBL172616

SCHEMBL172616

CC(C)CNCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
EPHX1 P07099 4/20 0.44
HTT P42858 1/20 0.41
BCHE P06276 6/20 0.39
MMP1 P03956 2/20 0.39
MMP8 P22894 2/20 0.39
CTSD P07339 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL15868930 0.98 HTT (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23029499 0.93 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL172630 0.88
SCHEMBL11068082 0.84 ADH1B (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22080075 0.83 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13995749 0.83 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20394545 0.83 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679102 0.83 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679033 0.83 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1678544 0.83 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117264175-A Polyisocyanate composition, aqueous coating composition, coated substrate, and method for producing polyisocyanate composition 旭化成株式会社 2023-12-22 CN disclosed
CN-117229476-A Polyisocyanate composition, blocked polyisocyanate composition, polyurethane resin composition, coating composition, and coated substrate 旭化成株式会社 2023-12-15 CN disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
CN-112996771-B Polyisocyanate composition, coating composition and coated substrate 旭化成株式会社 2023-08-01 CN disclosed
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed
US-11548870-B2 Compounds useful as inhibitors of helios protein BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-10 US disclosed
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS STORM THERAPEUTICS LIMITED (GB) 2023-01-05 US disclosed
US-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY 2021-05-20 US disclosed
WO-2020247860-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-12-10 WO disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 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 (4 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-20210147383-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN IKZF2, RPL6, HNRNPR ADH1B 3309/4885ADH1C 2600/4885ADH1A 3103/4885
US-20230002378-A1 POLYHETEROCYCLIC COMPOUNDS AS METTL3 INHIBITORS METTL3, DIMT1, TPMT ADH1B 3475/4885ADH1C 3081/4885ADH1A 2969/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT ADH1B 3475/4885ADH1C 3081/4885ADH1A 2969/4885
US-11548870-B2 Compounds useful as inhibitors of helios protein IKZF2, RPL6, HNRNPR ADH1B 3309/4885ADH1C 2600/4885ADH1A 3103/4885

“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.